============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 37 0.840 14.168 -35.846 -6.457 -99.200 -91.000 TYR 42 0.840 13.027 -16.227 -20.370 -99.200 -91.000 TYR 44 0.840 16.944 -12.533 -25.804 -99.200 -91.000 PHE 50 1.000 6.511 -22.857 -35.019 -99.200 -91.000 TYR 57 0.840 8.958 -21.365 -31.320 -99.200 -91.000 PHE 59 1.000 11.976 -27.099 -28.114 -99.200 -91.000 HIS 87 0.900 3.693 -14.659 -15.320 -99.200 -91.000 TYR 96 0.840 6.575 -26.902 -32.638 -99.200 -91.000 PHE 99 1.000 5.200 -32.669 -22.579 -99.200 -91.000 PHE 107 1.000 18.899 -36.646 -14.853 -99.200 -91.000 PHE 109 1.000 20.966 -34.949 -6.163 -99.200 -91.000 PHE 114 1.000 18.210 -39.151 -9.222 -99.200 -91.000